4-Bromo-5-Methyl-N-[1-(3-Nitropyridin-1-Ium-3-Id-2-Yl)-4-Piperidyl]Pyrrol-1-Ium-2-Ylium-2-Carboxamide

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Properties Simple | Detailed

Formula C16H19BrN5O3
IUPAC Name 4-bromo-5-methyl-n-[1-(3-nitropyridin-1-ium-3-id-2-yl)-4-piperidyl]pyrrol-1-ium-2-ylium-2-carboxamide
Molecular Mass 409.258 g·mol−1
Heat of Formation 37.9 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 411.39 Å 3
Surface Area 364.33 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
InChIKey DUOVKYNRHKLWBQ-UHFFFAOYSA-N
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Elements H C Br O N